3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole

C60H40N2S2 — CID 71234693

IUPAC3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole
SMILESC1=C2Sc3ccccc3C2CC(n2c3ccc(Sc4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)cc3c3cc(-c4ccccc4)ccc32)=C1
InChIInChI=1S/C60H40N2S2/c1-4-13-39(14-5-1)42-19-12-20-45(33-42)61-55-28-23-43(40-15-6-2-7-16-40)34-50(55)52-37-47(26-30-57(52)61)63-48-27-31-58-53(38-48)51-35-44(41-17-8-3-9-18-41)24-29-56(51)62(58)46-25-32-60-54(36-46)49-21-10-11-22-59(49)64-60/h1-35,37-38,54H,36H2
InChIKeyYXPTXFOCPHIBFR-UHFFFAOYSA-N
MW853.13 g/mol
LogP17.06
Rot. Bonds7

About 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole

3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 71234693) has the molecular formula C60H40N2S2 and a molecular weight of 853.13 g/mol. Its IUPAC name is 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole
PubChem CID71234693
Molecular FormulaC60H40N2S2
Molecular Weight853.13 g/mol
Exact Mass852.26
IUPAC Name3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole
SMILESC1=C2Sc3ccccc3C2CC(n2c3ccc(Sc4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)cc3c3cc(-c4ccccc4)ccc32)=C1
InChIInChI=1S/C60H40N2S2/c1-4-13-39(14-5-1)42-19-12-20-45(33-42)61-55-28-23-43(40-15-6-2-7-16-40)34-50(55)52-37-47(26-30-57(52)61)63-48-27-31-58-53(38-48)51-35-44(41-17-8-3-9-18-41)24-29-56(51)62(58)46-25-32-60-54(36-46)49-21-10-11-22-59(49)64-60/h1-35,37-38,54H,36H2
InChIKeyYXPTXFOCPHIBFR-UHFFFAOYSA-N
XLogP17.06
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.13
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole
CID 71232722
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
CID 165075520
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
8-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12a-dihydro-[1]benzothiolo[3,2-b]carbazole
CID 174286798
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole (CID 71234693) is 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole is C1=C2Sc3ccccc3C2CC(n2c3ccc(Sc4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)cc3c3cc(-c4ccccc4)ccc32)=C1.
What is the InChIKey of 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole?
The InChIKey is YXPTXFOCPHIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S2/c1-4-13-39(14-5-1)42-19-12-20-45(33-42)61-55-28-23-43(40-15-6-2-7-16-40)34-50(55)52-37-47(26-30-57(52)61)63-48-27-31-58-53(38-48)51-35-44(41-17-8-3-9-18-41)24-29-56(51)62(58)46-25-32-60-54(36-46)49-21-10-11-22-59(49)64-60/h1-35,37-38,54H,36H2.
What are the key properties of 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole?
3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole has a molecular weight of 853.13 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(1,9b-dihydrodibenzothiophen-2-yl)-6-phenylcarbazol-3-yl]sulfanyl-6-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 71234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).